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Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(4-bromophenyl)-1,4-dihydro-3-methyl-1-phenyl-
SpectraBase Compound ID EutOY0Q7vff
InChI InChI=1S/C20H15BrN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)26-20(17)25(24-12)15-5-3-2-4-6-15/h2-10,18H,23H2,1H3
InChIKey ZTTVYYRLMCILKD-UHFFFAOYSA-N
Mol Weight 407.27 g/mol
Molecular Formula C20H15BrN4O
Exact Mass 406.042924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dm5zRPy8BID
Name Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(4-bromophenyl)-1,4-dihydro-3-methyl-1-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.042924118 u
Formula C20H15BrN4O
InChI InChI=1S/C20H15BrN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)26-20(17)25(24-12)15-5-3-2-4-6-15/h2-10,18H,23H2,1H3
InChIKey ZTTVYYRLMCILKD-UHFFFAOYSA-N
Molecular Weight 407.271 g/mol
SMILES NC1=C(C#N)C(C2=C(N(N=C2C)C2=CC=CC=C2)O1)C=1C=CC(=CC1)Br